AOO
Summary
| Name: | N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine |
| Synonyms: | Atraton |
| Formula: | C9 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 211.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 1.7.0 | N4-ethyl-6-methoxy-N2-propan-2-yl-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1nc(nc(n1)NC(C)C)NCC)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CCNc1nc(NC(C)C)nc(OC)n1 |
| SMILES | CACTVS | 3.370 | CCNc1nc(NC(C)C)nc(OC)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCNc1nc(nc(n1)OC)NC(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCNc1nc(nc(n1)OC)NC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | PXWUKZGIHQRDHL-UHFFFAOYSA-N |
